==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-09 3K37 . COMPND 2 MOLECULE: NEURAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA B VIRUS; . AUTHOR A.J.OAKLEY,J.L.MCKIMM-BRESCHKIN . 778 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 277 35.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 71 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 2 2 7 19 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 6 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 78 A P 0 0 138 0, 0.0 2,-0.2 0, 0.0 108,-0.1 0.000 360.0 360.0 360.0 158.0 -6.6 -10.9 43.3 2 79 A E - 0 0 138 106,-0.1 155,-0.1 1,-0.1 2,-0.1 -0.573 360.0 -99.4-100.6 152.1 -9.4 -13.4 44.0 3 80 A W - 0 0 31 -2,-0.2 105,-0.3 153,-0.1 2,-0.2 -0.404 42.8-121.1 -60.8 142.8 -10.8 -16.3 42.0 4 81 A T - 0 0 23 103,-1.6 152,-1.5 -2,-0.1 153,-0.5 -0.553 26.8-171.6 -85.8 154.1 -13.9 -15.5 40.1 5 82 A Y - 0 0 113 150,-0.2 2,-0.1 -2,-0.2 150,-0.1 -0.952 38.4 -89.8-135.7 151.4 -17.3 -17.3 40.6 6 83 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.455 51.1-162.8 -58.9 133.4 -20.5 -17.0 38.5 7 84 A R - 0 0 81 -2,-0.1 272,-0.2 1,-0.1 2,-0.1 -0.581 32.3 -72.3-107.2 177.2 -22.6 -14.3 40.0 8 85 A L - 0 0 106 334,-0.2 336,-1.3 -2,-0.2 272,-0.2 -0.464 63.7-105.8 -59.7 139.7 -26.3 -13.3 39.7 9 86 A S B -a 344 0A 17 270,-2.8 336,-0.2 334,-0.2 272,-0.1 -0.380 34.3 -99.1 -68.5 149.6 -26.9 -11.8 36.2 10 87 A a - 0 0 14 334,-2.4 -1,-0.1 1,-0.1 334,-0.0 -0.271 55.3 -83.5 -57.5 153.7 -27.3 -8.1 35.7 11 88 A P S S+ 0 0 122 0, 0.0 362,-0.4 0, 0.0 2,-0.2 -0.298 75.3 114.9 -63.6 151.2 -31.0 -7.0 35.3 12 89 A G - 0 0 21 360,-0.2 362,-0.2 -3,-0.1 3,-0.1 -0.726 43.4-158.9 156.8 152.6 -32.5 -7.3 31.9 13 90 A S S S+ 0 0 62 360,-2.9 2,-0.3 1,-0.2 361,-0.2 0.241 76.3 37.6-136.8 9.1 -35.2 -9.1 29.9 14 91 A T S S- 0 0 2 359,-0.8 358,-2.6 362,-0.1 2,-0.3 -0.977 70.2-123.6-154.2 155.8 -34.1 -8.8 26.2 15 92 A F E -B 371 0A 0 -2,-0.3 2,-0.3 356,-0.3 356,-0.2 -0.723 26.5-167.6 -96.3 159.1 -30.9 -8.9 24.2 16 93 A Q E -B 370 0A 31 354,-1.9 354,-1.7 -2,-0.3 2,-0.2 -0.949 35.5 -85.3-143.3 157.6 -29.9 -6.0 21.9 17 94 A K E +B 369 0A 75 -2,-0.3 352,-0.2 352,-0.2 3,-0.1 -0.491 51.2 167.8 -65.3 128.9 -27.3 -5.5 19.1 18 95 A A E - 0 0 51 350,-2.9 2,-0.3 1,-0.3 351,-0.2 0.826 48.9 -8.7-110.8 -56.2 -24.1 -4.5 20.8 19 96 A L E -B 368 0A 62 349,-1.5 349,-2.2 2,-0.0 2,-0.4 -0.989 43.6-156.5-156.9 133.4 -21.0 -4.6 18.6 20 97 A L E -B 367 0A 54 -2,-0.3 2,-0.5 347,-0.2 347,-0.2 -0.963 4.4-166.7-111.1 134.4 -19.8 -5.7 15.2 21 98 A I E +B 366 0A 4 345,-2.4 345,-2.4 -2,-0.4 65,-0.0 -0.969 16.6 167.7-115.3 107.1 -16.1 -6.5 14.5 22 99 A S > + 0 0 8 -2,-0.5 3,-2.5 343,-0.2 4,-0.2 -0.645 6.5 175.3-124.2 72.5 -15.9 -6.7 10.7 23 100 A P G > S+ 0 0 4 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.739 73.7 64.6 -59.8 -26.2 -12.1 -6.6 10.0 24 101 A H G > S+ 0 0 5 1,-0.3 3,-1.5 2,-0.2 362,-0.2 0.530 77.5 83.5 -78.2 -4.1 -12.6 -7.2 6.2 25 102 A R G < S+ 0 0 136 -3,-2.5 -1,-0.3 1,-0.2 3,-0.1 0.579 100.0 41.6 -61.6 -12.7 -14.3 -3.8 5.9 26 103 A F G < S+ 0 0 98 -3,-1.3 7,-0.6 -4,-0.2 -1,-0.2 0.023 91.9 92.4-120.8 19.8 -10.7 -2.6 5.8 27 104 A G < + 0 0 1 -3,-1.5 -2,-0.1 7,-0.1 -3,-0.1 0.230 51.8 136.6-102.0 15.5 -9.3 -5.4 3.5 28 105 A E > - 0 0 67 1,-0.1 3,-1.0 -3,-0.1 5,-0.3 -0.238 62.8-126.8 -64.6 148.8 -9.7 -3.8 0.1 29 106 A T T 3 S+ 0 0 87 1,-0.2 -1,-0.1 3,-0.1 360,-0.1 0.927 117.6 50.4 -50.1 -48.7 -7.1 -4.0 -2.6 30 107 A K T 3 S+ 0 0 199 2,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.564 103.6 83.9 -67.7 -10.7 -7.4 -0.2 -2.8 31 108 A G S < S- 0 0 22 -3,-1.0 -4,-0.1 2,-0.1 -5,-0.1 -0.178 73.1-135.8 -90.7-178.6 -7.0 -0.0 1.1 32 109 A N + 0 0 169 -6,-0.1 2,-0.2 -2,-0.0 -5,-0.1 0.058 63.9 105.0-126.8 24.6 -4.0 0.0 3.4 33 110 A S - 0 0 59 -7,-0.6 -2,-0.1 -5,-0.3 27,-0.0 -0.597 54.4-147.2-112.6 169.8 -4.9 -2.4 6.2 34 111 A A + 0 0 35 -2,-0.2 56,-1.9 26,-0.1 57,-0.1 -0.473 20.3 177.5-131.9 58.2 -4.0 -6.0 7.2 35 112 A P B -E 89 0B 0 0, 0.0 26,-1.8 0, 0.0 54,-0.3 -0.470 35.4-113.0 -65.7 141.8 -7.0 -7.7 8.8 36 113 A L E -F 60 0C 5 52,-2.0 2,-0.5 24,-0.2 24,-0.3 -0.480 19.2-121.7 -72.5 137.2 -6.1 -11.3 9.7 37 114 A I E + 0 0 0 22,-3.0 20,-2.3 -2,-0.2 22,-0.4 -0.719 54.4 148.7 -74.1 125.7 -7.8 -14.2 7.9 38 115 A I E -F 56 0C 8 -2,-0.5 2,-0.3 18,-0.3 18,-0.2 -0.838 30.4-170.5-148.3 173.8 -9.5 -16.2 10.7 39 116 A R E +F 55 0C 16 16,-1.0 16,-2.7 -2,-0.2 325,-0.1 -0.908 64.4 49.0-159.3-179.6 -12.4 -18.5 11.7 40 117 A E E S- 0 0 6 -2,-0.3 62,-0.1 14,-0.2 -1,-0.1 0.866 70.5-177.9 48.2 51.1 -13.9 -19.9 14.9 41 118 A P E + 0 0 2 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.417 6.5 168.1 -71.7 151.1 -13.9 -16.6 16.8 42 119 A F E -F 53 0C 0 11,-2.0 11,-2.6 -2,-0.1 2,-0.4 -0.942 24.6-133.2-149.7 171.6 -15.0 -16.5 20.4 43 120 A I E +F 52 0C 0 -2,-0.3 108,-0.4 9,-0.2 2,-0.3 -0.981 18.6 178.6-128.9 143.7 -14.9 -14.1 23.2 44 121 A A E -F 51 0C 3 7,-1.8 7,-2.8 -2,-0.4 2,-0.4 -0.992 12.1-155.1-142.6 142.6 -13.9 -14.6 26.9 45 122 A b E -F 50 0C 9 -2,-0.3 61,-0.5 292,-0.3 5,-0.3 -0.941 10.1-167.9-125.6 143.2 -13.7 -12.0 29.7 46 123 A G - 0 0 4 3,-2.7 293,-0.5 -2,-0.4 63,-0.0 -0.370 56.0 -74.4 -97.9-170.3 -11.9 -11.5 33.0 47 124 A P S S+ 0 0 71 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.830 128.6 23.1 -50.5 -38.8 -12.8 -8.9 35.7 48 125 A K S S+ 0 0 184 1,-0.2 2,-0.3 0, 0.0 -3,-0.0 0.649 123.0 23.1-107.0 -18.7 -11.3 -6.0 33.7 49 126 A E - 0 0 47 2,-0.0 -3,-2.7 34,-0.0 2,-0.4 -0.996 53.6-137.8-160.1 143.1 -11.3 -6.9 30.1 50 127 A b E -F 45 0C 16 -2,-0.3 34,-3.1 -5,-0.3 2,-0.4 -0.903 20.9-152.5-108.2 141.9 -12.8 -9.1 27.3 51 128 A K E -FG 44 83C 29 -7,-2.8 -7,-1.8 -2,-0.4 2,-0.8 -0.938 8.2-141.8-114.0 140.6 -10.6 -10.7 24.7 52 129 A H E -FG 43 82C 5 30,-3.2 30,-1.1 -2,-0.4 -9,-0.2 -0.881 27.7-169.3-103.6 106.3 -11.7 -11.5 21.1 53 130 A F E +FG 42 81C 0 -11,-2.6 -11,-2.0 -2,-0.8 2,-0.3 -0.594 13.2 159.4 -94.2 157.4 -10.1 -14.8 20.1 54 131 A A E - G 0 80C 4 26,-1.8 26,-2.7 -13,-0.3 2,-0.7 -0.971 41.9-109.6-163.9 169.8 -9.9 -16.6 16.8 55 132 A L E -FG 39 79C 0 -16,-2.7 -16,-1.0 -2,-0.3 24,-0.2 -0.915 40.0-157.0-106.6 105.1 -8.0 -19.2 14.8 56 133 A T E -FG 38 78C 0 22,-2.4 22,-1.2 -2,-0.7 -18,-0.3 -0.437 25.1-142.3 -79.5 153.6 -5.9 -17.4 12.1 57 134 A H E - 0 0 12 -20,-2.3 20,-0.1 2,-0.3 -19,-0.1 0.129 51.3-113.9 -88.7 17.0 -4.7 -19.0 8.9 58 135 A Y E S+ 0 0 119 -21,-0.4 2,-0.3 1,-0.2 -20,-0.1 0.916 84.9 105.6 53.7 46.3 -1.6 -16.8 9.6 59 136 A A E - 0 0 10 -22,-0.4 -22,-3.0 4,-0.0 2,-0.3 -0.964 56.3-145.4-149.6 159.5 -2.4 -14.7 6.5 60 137 A A E -F 36 0C 19 -2,-0.3 5,-0.4 -24,-0.3 -24,-0.2 -0.843 24.3 -92.0-125.9 162.3 -3.9 -11.3 5.8 61 138 A Q S S+ 0 0 4 -26,-1.8 2,-0.1 -2,-0.3 -33,-0.1 -0.996 111.9 37.4-116.3 130.6 -6.2 -9.6 3.3 62 139 A P S S+ 0 0 52 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.584 103.5 112.5 -72.8 158.8 -5.0 -8.3 0.9 63 140 A G S S- 0 0 39 -2,-0.1 3,-0.2 -4,-0.1 -2,-0.1 -0.973 71.5-108.8-177.4 174.6 -2.4 -11.0 0.6 64 141 A G S S+ 0 0 71 -2,-0.3 3,-0.3 1,-0.1 -3,-0.1 0.336 95.8 76.2-106.4 5.0 -0.9 -13.9 -1.4 65 142 A Y + 0 0 186 -5,-0.4 -1,-0.1 1,-0.2 4,-0.1 -0.126 48.2 121.0-115.2 42.0 -1.9 -16.8 0.9 66 143 A Y > + 0 0 58 -3,-0.2 3,-1.9 2,-0.1 2,-0.3 0.806 49.4 97.9 -70.3 -30.1 -5.6 -17.2 0.3 67 144 A N T 3 S+ 0 0 145 -3,-0.3 292,-0.1 1,-0.3 294,-0.1 -0.485 90.4 17.9 -73.3 122.1 -5.2 -20.8 -0.8 68 145 A G T > S+ 0 0 41 290,-0.4 3,-2.1 -2,-0.3 -1,-0.3 0.139 90.5 113.1 108.2 -10.6 -5.9 -23.3 2.0 69 146 A T T < + 0 0 3 -3,-1.9 -2,-0.1 1,-0.3 292,-0.1 0.714 70.0 58.9 -76.6 -20.1 -7.7 -20.7 4.0 70 147 A R T 3 S+ 0 0 104 -4,-0.3 -1,-0.3 288,-0.2 -3,-0.1 0.535 92.0 104.9 -75.2 -4.7 -11.1 -22.5 3.6 71 148 A G < - 0 0 32 -3,-2.1 3,-0.1 1,-0.1 291,-0.0 -0.338 66.3-143.3 -85.7 160.2 -9.3 -25.5 5.3 72 149 A D S S+ 0 0 87 1,-0.3 2,-0.4 -2,-0.1 -1,-0.1 0.885 76.4 20.2 -87.9 -43.1 -9.8 -26.7 8.9 73 150 A R + 0 0 79 3,-0.0 2,-0.3 44,-0.0 -1,-0.3 -0.991 62.7 137.0-137.2 134.9 -6.3 -27.8 10.0 74 151 A N - 0 0 56 -2,-0.4 3,-0.2 -3,-0.1 44,-0.1 -0.920 61.0 -93.5-158.6-179.6 -2.8 -27.2 8.9 75 152 A K S S+ 0 0 206 -2,-0.3 25,-0.0 1,-0.2 23,-0.0 0.453 117.4 53.5 -83.5 -3.0 0.7 -26.4 10.6 76 153 A L S S+ 0 0 112 22,-0.1 -1,-0.2 2,-0.0 -20,-0.1 0.700 75.8 112.3-100.3 -28.6 0.3 -22.6 10.3 77 154 A R - 0 0 4 -3,-0.2 22,-1.8 -20,-0.1 2,-0.3 -0.224 47.0-177.7 -50.6 130.0 -3.1 -22.1 12.1 78 155 A H E -GH 56 98C 38 -22,-1.2 -22,-2.4 20,-0.3 2,-0.5 -0.979 32.3-115.1-133.6 149.5 -2.7 -20.2 15.5 79 156 A L E +GH 55 97C 0 18,-2.5 17,-2.7 -2,-0.3 18,-1.0 -0.730 45.8 175.0 -77.5 123.4 -4.8 -19.0 18.4 80 157 A I E -GH 54 95C 1 -26,-2.7 -26,-1.8 -2,-0.5 2,-0.3 -0.875 11.9-169.6-125.2 159.1 -4.8 -15.2 18.5 81 158 A S E -GH 53 94C 3 13,-1.7 13,-2.1 -2,-0.3 2,-0.3 -0.982 12.6-173.6-140.2 163.8 -6.5 -12.4 20.4 82 159 A V E -G 52 0C 7 -30,-1.1 -30,-3.2 -2,-0.3 2,-0.1 -0.930 49.1 -88.6-133.2 159.9 -7.1 -8.7 20.6 83 160 A K E > -G 51 0C 109 -2,-0.3 3,-1.9 -32,-0.2 -32,-0.3 -0.492 63.9 -90.9 -59.5 139.5 -8.8 -6.8 23.4 84 161 A L T 3 S+ 0 0 33 -34,-3.1 -34,-0.2 1,-0.2 -1,-0.1 -0.376 116.8 37.3 -60.8 131.5 -12.5 -6.8 22.5 85 162 A G T 3 S+ 0 0 46 1,-0.5 2,-0.3 -2,-0.1 -1,-0.2 0.181 93.5 105.3 107.3 -17.3 -13.3 -3.7 20.4 86 163 A K S < S- 0 0 103 -3,-1.9 -1,-0.5 -65,-0.0 -4,-0.1 -0.688 79.0-111.9 -90.1 148.1 -9.9 -3.7 18.5 87 164 A I - 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